6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one

C40H73NO11 — CID 91461185

About 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one (PubChem CID 91461185) has the molecular formula C40H73NO11 and a molecular weight of 744.02 g/mol. Its IUPAC name is 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one.

Molecular Properties

• Compound Name: 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one
• PubChem CID: 91461185
• Molecular Formula: C40H73NO11
• Molecular Weight: 744.02 g/mol
• Exact Mass: 743.52
• IUPAC Name: 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one
• SMILES: C=C1C(C)CC(C)(OC)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(OC2CC(C)(OC)C(C)C(C)O2)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C
• InChI: InChI=1S/C40H73NO11/c1-17-30-40(12,45)34(43)24(5)23(4)21(2)19-39(11,47-16)35(52-37-32(42)29(41(13)14)18-22(3)48-37)25(6)33(26(7)36(44)50-30)51-31-20-38(10,46-15)27(8)28(9)49-31/h21-22,24-35,37,42-43,45H,4,17-20H2,1-3,5-16H3
• InChIKey: UBUCGHNWQIUVRM-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 145.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.02
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one?

The IUPAC name of 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one (CID 91461185) is 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one.

What is the SMILES notation for 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one?

The canonical SMILES for 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one is C=C1C(C)CC(C)(OC)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(OC2CC(C)(OC)C(C)C(C)O2)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C.

What is the InChIKey of 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one?

The InChIKey is UBUCGHNWQIUVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H73NO11/c1-17-30-40(12,45)34(43)24(5)23(4)21(2)19-39(11,47-16)35(52-37-32(42)29(41(13)14)18-22(3)48-37)25(6)33(26(7)36(44)50-30)51-31-20-38(10,46-15)27(8)28(9)49-31/h21-22,24-35,37,42-43,45H,4,17-20H2,1-3,5-16H3.

What are the key properties of 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one?

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one has a molecular weight of 744.02 g/mol, XLogP of 4.70, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-4-(4-methoxy-4,5,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-10-methylidene-oxacyclotetradecan-2-one is sourced from PubChem (CID 91461185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).